| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
252 |
70 |
19191 |
◊ |
A |
x,y,z |
1_555 |
278 |
79 |
19642 |
2605.6 |
-26.5 |
0.205 |
41 |
14 |
0 |
0.560 |
2 |
|
C |
253 |
67 |
19646 |
◊ |
B |
x,y,z |
1_555 |
272 |
80 |
19191 |
2584.9 |
-27.7 |
0.188 |
39 |
10 |
0 |
0.560 |
3 |
|
C |
271 |
76 |
19646 |
◊ |
A |
x,y,z |
1_555 |
252 |
68 |
19642 |
2493.6 |
-26.6 |
0.199 |
34 |
9 |
0 |
0.560 |
| Average: |
2561.4 |
-26.9 |
0.197 |
38 |
11 |
0 |
0.560 |
| 2 |
4 |
|
B |
106 |
29 |
19191 |
◊ |
A |
x-1/2,-y-3/2,-z-1/4 |
6_434 |
105 |
27 |
19642 |
977.9 |
-4.3 |
0.578 |
11 |
5 |
0 |
0.136 |
| 3 |
5 |
|
B |
100 |
22 |
19191 |
◊ |
A |
-y-1/2,x-3/2,z+1/4 |
3_435 |
98 |
25 |
19642 |
901.8 |
-9.2 |
0.345 |
7 |
0 |
0 |
0.165 |
| 4 |
6 |
|
B |
43 |
14 |
19191 |
◊ |
C |
x-1/2,-y-5/2,-z-1/4 |
6_424 |
34 |
8 |
19646 |
363.6 |
-2.9 |
0.487 |
4 |
0 |
0 |
0.006 |
| 5 |
7 |
|
[UD1]B:1348 |
27 |
1 |
702 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
19642 |
278.5 |
-2.0 |
0.564 |
6 |
0 |
0 |
0.019 |
| 6 |
8 |
|
[PLM]C:1351 |
18 |
1 |
559 |
f |
C |
x,y,z |
1_555 |
39 |
16 |
19646 |
262.2 |
0.5 |
0.269 |
1 |
0 |
0 |
0.005 |
9 |
|
[PLM]A:1349 |
17 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
19642 |
250.3 |
0.5 |
0.267 |
2 |
0 |
0 |
0.005 |
| Average: |
256.3 |
0.5 |
0.268 |
2 |
0 |
0 |
0.005 |
| 7 |
10 |
|
[PLM]B:1349 |
18 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
40 |
16 |
19191 |
250.2 |
1.2 |
0.334 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[PLM]B:1349 |
18 |
1 |
562 |
◊ |
C |
x,y,z |
1_555 |
31 |
12 |
19646 |
232.2 |
1.1 |
0.328 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[UD1]B:1348 |
21 |
1 |
702 |
f |
B |
x,y,z |
1_555 |
32 |
10 |
19191 |
225.4 |
-2.9 |
0.513 |
7 |
0 |
0 |
0.083 |
| 10 |
13 |
|
[PLM]A:1349 |
18 |
1 |
558 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
19191 |
219.8 |
1.6 |
0.325 |
0 |
0 |
0 |
0.000 |
14 |
|
[PLM]C:1351 |
17 |
1 |
559 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
19642 |
218.0 |
1.6 |
0.344 |
0 |
0 |
0 |
0.000 |
| Average: |
218.9 |
1.6 |
0.335 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
A |
15 |
3 |
19642 |
x |
A |
-y-1/2,x-3/2,z+1/4 |
3_435 |
23 |
6 |
19642 |
166.4 |
-2.0 |
0.248 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
A |
10 |
3 |
19642 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
12 |
3 |
19642 |
95.3 |
2.5 |
0.895 |
2 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[SO4]B:1346 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
19191 |
94.8 |
-14.4 |
0.810 |
5 |
0 |
0 |
0.228 |
| 14 |
18 |
|
[SO4]A:1347 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19642 |
94.3 |
-14.0 |
0.830 |
6 |
0 |
0 |
0.229 |
| 15 |
19 |
|
[SO4]C:1350 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
19646 |
93.3 |
-13.7 |
0.684 |
5 |
0 |
0 |
0.065 |
| 16 |
20 |
|
[BME]A:1351 |
4 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
19191 |
88.6 |
1.2 |
0.673 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
C |
8 |
3 |
19646 |
x |
C |
x-1/2,-y-5/2,-z-1/4 |
6_424 |
9 |
3 |
19646 |
83.2 |
-0.1 |
0.592 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[BME]A:1351 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19642 |
82.8 |
-2.9 |
0.295 |
2 |
0 |
0 |
0.052 |
| 19 |
23 |
|
B |
17 |
5 |
19191 |
◊ |
[EDO]A:1350 |
x-1/2,-y-3/2,-z-1/4 |
6_434 |
4 |
1 |
184 |
82.6 |
2.0 |
0.414 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[SO4]C:1349 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
19646 |
77.1 |
-10.0 |
0.894 |
3 |
0 |
0 |
0.046 |
| 21 |
25 |
|
[SO4]C:1350 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19642 |
58.2 |
-7.8 |
0.790 |
3 |
0 |
0 |
0.038 |
| 22 |
26 |
|
B |
8 |
3 |
19191 |
◊ |
[SO4]C:1349 |
x-1/2,-y-5/2,-z-1/4 |
6_424 |
4 |
1 |
186 |
58.2 |
-8.0 |
0.716 |
1 |
0 |
0 |
0.011 |
| 23 |
27 |
|
B |
6 |
3 |
19191 |
f |
[SO4]A:1348 |
x-1/2,-y-3/2,-z-1/4 |
6_434 |
4 |
1 |
183 |
54.3 |
-7.7 |
0.497 |
0 |
0 |
0 |
0.105 |
| 24 |
28 |
|
[SO4]B:1347 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
2 |
19191 |
53.5 |
-7.4 |
0.789 |
1 |
0 |
0 |
0.107 |
| 25 |
29 |
|
[SO4]B:1347 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
19642 |
52.2 |
-7.1 |
0.781 |
1 |
0 |
0 |
0.031 |
| 26 |
30 |
|
[EDO]A:1350 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
19642 |
52.2 |
0.8 |
0.733 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[SO4]B:1347 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
19646 |
50.7 |
-6.7 |
0.813 |
1 |
0 |
0 |
0.029 |
| 28 |
32 |
|
[SO4]A:1348 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
19642 |
36.8 |
-4.5 |
0.562 |
0 |
0 |
0 |
0.062 |
| 29 |
33 |
|
[SO4]B:1346 |
4 |
1 |
186 |
◊ |
A |
-y-1/2,x-3/2,z+1/4 |
3_435 |
7 |
3 |
19642 |
36.7 |
-3.6 |
0.861 |
2 |
0 |
0 |
0.060 |
| 30 |
34 |
|
B |
4 |
3 |
19191 |
◊ |
C |
x-1/2,-y-3/2,-z-1/4 |
6_434 |
8 |
4 |
19646 |
36.0 |
0.8 |
0.728 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[EDO]A:1350 |
3 |
1 |
184 |
◊ |
[SO4]A:1348 |
x,y,z |
1_555 |
2 |
1 |
183 |
22.0 |
-2.5 |
0.980 |
1 |
0 |
0 |
0.040 |
| 32 |
36 |
|
[UD1]B:1348 |
2 |
1 |
702 |
◊ |
[PLM]A:1349 |
x,y,z |
1_555 |
1 |
1 |
558 |
17.1 |
0.5 |
0.497 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
B |
1 |
1 |
19191 |
x |
B |
x-1/2,-y-5/2,-z-1/4 |
6_424 |
1 |
1 |
19191 |
4.4 |
-0.1 |
0.390 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
A |
2 |
2 |
19642 |
◊ |
B |
x-1/2,-y-3/2,-z-1/4 |
6_434 |
1 |
1 |
19191 |
2.5 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
B |
1 |
1 |
19191 |
◊ |
[SO4]A:1347 |
x-1/2,-y-3/2,-z-1/4 |
6_434 |
1 |
1 |
184 |
1.3 |
-0.1 |
0.852 |
0 |
0 |
0 |
0.002 |
|